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3-(3,4-dimethoxyphenyl)-2-methyl-2-nitro-propanethioic S-acid

3-(3,4-dimethoxyphenyl)-2-methyl-2-nitro-propanethioic S-acid

Systemtic Name:3-(3,4-dimethoxyphenyl)-2-methyl-2-nitro-propanethioic S-acid
Openeye Name:3-(3,4-dimethoxyphenyl)-2-methyl-2-nitro-propanethioic S-acid
CAS Name:3-(3,4-dimethoxyphenyl)-2-methyl-2-nitropropanethioic S-acid
IUPAC Name:3-(3,4-dimethoxyphenyl)-2-methyl-2-nitropropanethioic S-acid
Traditional Name:3-(3,4-dimethoxyphenyl)-2-methyl-2-nitro-thiopropionic acid
Formula: C12H15NO5S
MolecularWeight: 285.3162
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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)(C(=O)S)[N+](=O)[O-]


Isomeric SMILES

CC(CC1=CC(=C(C=C1)OC)OC)(C(=O)S)[N+](=O)[O-]


InChI

InChI=1S/C12H15NO5S/c1-12(11(14)19,13(15)16)7-8-4-5-9(17-2)10(6-8)18-3/h4-6H,7H2,1-3H3,(H,14,19)


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